Tutorial from Armel Le Bail site:
http://fluo.univ-lemans.fr:8001/iniref.html
----
PC-MSWindows/DOS based software:
Peak Profiling:
XFIT for Win95 -
http://www.dl.ac.uk/CCP/CCP14/tutorial/xfit-95/xfit.htm
Indexing: Treor, Ito, Dicvol
Try PROSZKI which integrates the above and more:
ftp://trurl.ch.uj.edu.pl/PRG/PUB/
Space Group Determination:
ABSEN - or try using Le Bail extraction and total profile
fit using any supported Rietveld program.
http://www.dl.ac.uk/CCP/CCP14/solution/lebail/index.html
ABSEN is part of ORTEX suite:
http://www.ucg.ie/cryst/
----
Structure factor extraction and solution:
EXPO (menu driven - very slick): (Windows 95/NT, VMS or UNIX)
http://www.ba.cnr.it/IRMEC/SirWare_main.html
Or use any Rietveld that supports Le Bail extraction
and plug into solution software of your choice.
Refer:
http://www.dl.ac.uk/CCP/CCP14/solution/lebail/index.html
Or Pawley method software:
http://www.dl.ac.uk/CCP/CCP14/solution/pawley/index.html
----
For refinement - any Rietvled program that takes your fancy and can
get decent help locally if required:
Fullprof, GSAS, LHPM, XND, XRS, BGMN, etc, etc.
Any agreements, disagreements with the above?
Lachlan.
PS: Most of the above mentioned software or web pages are
mirrored at CCP14.
http://www.dl.ac.uk/CCP/CCP14/mirror/mirror.htm
>
> >
> > Dear rietvelders
> >
> > How can I determine and refine structure from powder diffraction?
> > which computer programmes can be used for this aim?
> >
> > thanks
> >
> >
> > _____________________________________________
> > *********************************************
> > * *
> > * Selcuk KEVRAN *
> > * *
> > * ANKARA UNIVERSITY *
> > * SCIENCE FACULTY *
> > * PHYSICS ENGINEERING DEPARTMENT *
> > * 06100 Besevler-ANKARA-TURKEY *
> > * *
> > * e-mail : kevran@science.ankara.edu.tr *
> > * http://www.ankara.edu.tr *
> > * phone : +903122126720/1123 *
> > * fax : +903122232395 *
> > * * ***********************
> > *********************************************
-- Lachlan M. D. CranswickCollaborative Computational Project No 14 (CCP14) for Single Crystal and Powder DiffractionDaresbury Laboratory, Warrington, WA4 4AD U.KTel: +44-1925-603703 Fax: +44-1925-603124 E-mail: l.cranswick@dl.ac.uk Ext: 3703 Room C14CCP14 Webpage (Under heavy reconstruction): http://www.dl.ac.uk/CCP/CCP14/